Quantum Chemistry
3,656 papers from PubMed
Quantum Chemistry Research Context
This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.
Showing 841-852 of 3,656
Fine-Tuning Directional Message Passing Neural Networks: Predicting Properties of Conjugated Organic Polymers with High Accuracy.
Koskin IP, Petrosyan LS, Kazantsev MS
Fine-tuning of the properties of supported hydrogenation catalysts based on furoate Cu(II) complexes with aminopyridines as precursors.
Koshenskova KA, Novikov DV, Razvorotneva LS, Dolgushin FM, Lagutina AV, Panov AO, Shishkin EV, Nebykov DN, Gogoleva NV, Teplonogova MA, Buldashov IA, Ananyev IV, Zaeva AS, Eremenko IL, Lutsenko IA
First evaluation of a heteroepitaxial diamond ionization chamber operating at low voltage for diagnostic X-ray dosimetry.
Shinsho K, Koyama K, Hitomi K, Nogami M, Maida O, Onodera T, Kikkawa K, Hashimoto S, Hirai Y, Koba Y, Haga A, Maruyama D, Kim SW
First-principles predictions of the diversity in the atomic structures and electronic properties of the reconstructed Si(111)-7 × 7 surface.
Song Y, Li S, Lin P, Li J, Ouyang T, Tang C, He C
First-principles study of spin-selective transport properties and quantum logic gate operation in transition-metal-capped nanowires.
Adak D, Jana D, Chattopadhyaya M, Sen S
Flexible Capacitive Synapse with Ultralow Energy Consumption Enabled by a Freestanding BaTiO(3) Membrane.
Hou Z, Shen C, Chen J, Chen S, Zeng M, Hao L, Zhang H
Flexible disulfide-bridged hyperbranched poly(amido amine)s based nonconjugated carbonized polymer dots for iron (III) sensing and its application in meat by-product.
Tian X, Li L, Yan C, Wang Z, Zheng X, Liu BT, Chen L, Li S, Shang M, Li C, Zhang D
Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic Dynamics.
Martinka J, Martyka M, Medhi B, Pittner J, Dral PO
Floquet States of Chemoselective Alternating Current Electrosynthesis.
Poh YR, Sreekumar S, Luo L, Yuen-Zhou J
Flow matching for reaction pathway generation.
Tuo P, Chen J, Li J
Flow solitons of supermolecular complex DEAE-dextran-MMA copolymer/small noncoding RNAs for epigenetic change from cancer to normal cells in TME.
Klimenko OV, Ji RC, Onishi M, Mizuno M, Kubota N, Eshita Y, Onishi Y
Fluctuation-driven mass-selective transport in dynamic nanopores.
Tang Z, Otake KI, Sakamoto H, Kitagawa S, Saito S